---
OA_type: closed access
_id: '18019'
abstract:
- lang: eng
  text: We simultaneously measure conductance and force across nanoscale junctions.
    A new, two-dimensional histogram technique is introduced to statistically extract
    bond rupture forces from a large data set of individual junction elongation traces.
    For the case of Au point contacts, we find a rupture force of 1.4 ± 0.2 nN, which
    is in good agreement with previous measurements. We then study systematic trends
    for single gold metal−molecule−metal junctions for a series of molecules terminated
    with amine and pyridine linkers. For all molecules studied, single molecule junctions
    rupture at the Au−N bond. Selective binding of the linker group allows us to correlate
    the N−Au bond-rupture force to the molecular backbone. We find that the rupture
    force ranges from 0.8 nN for 4,4′ bipyridine to 0.5 nN in 1,4 diaminobenzene.
    These experimental results are in excellent quantitative agreement with density
    functional theory based adiabatic molecular junction elongation and rupture calculations.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Michael
  full_name: Frei, Michael
  last_name: Frei
- first_name: Sriharsha V.
  full_name: Aradhya, Sriharsha V.
  last_name: Aradhya
- first_name: Max
  full_name: Koentopp, Max
  last_name: Koentopp
- first_name: Mark S.
  full_name: Hybertsen, Mark S.
  last_name: Hybertsen
- first_name: Latha
  full_name: Venkataraman, Latha
  id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
  last_name: Venkataraman
  orcid: 0000-0002-6957-6089
citation:
  ama: 'Frei M, Aradhya SV, Koentopp M, Hybertsen MS, Venkataraman L. Mechanics and
    chemistry: Single molecule bond rupture forces correlate with molecular backbone
    structure. <i>Nano Letters</i>. 2011;11(4):1518-1523. doi:<a href="https://doi.org/10.1021/nl1042903">10.1021/nl1042903</a>'
  apa: 'Frei, M., Aradhya, S. V., Koentopp, M., Hybertsen, M. S., &#38; Venkataraman,
    L. (2011). Mechanics and chemistry: Single molecule bond rupture forces correlate
    with molecular backbone structure. <i>Nano Letters</i>. American Chemical Society.
    <a href="https://doi.org/10.1021/nl1042903">https://doi.org/10.1021/nl1042903</a>'
  chicago: 'Frei, Michael, Sriharsha V. Aradhya, Max Koentopp, Mark S. Hybertsen,
    and Latha Venkataraman. “Mechanics and Chemistry: Single Molecule Bond Rupture
    Forces Correlate with Molecular Backbone Structure.” <i>Nano Letters</i>. American
    Chemical Society, 2011. <a href="https://doi.org/10.1021/nl1042903">https://doi.org/10.1021/nl1042903</a>.'
  ieee: 'M. Frei, S. V. Aradhya, M. Koentopp, M. S. Hybertsen, and L. Venkataraman,
    “Mechanics and chemistry: Single molecule bond rupture forces correlate with molecular
    backbone structure,” <i>Nano Letters</i>, vol. 11, no. 4. American Chemical Society,
    pp. 1518–1523, 2011.'
  ista: 'Frei M, Aradhya SV, Koentopp M, Hybertsen MS, Venkataraman L. 2011. Mechanics
    and chemistry: Single molecule bond rupture forces correlate with molecular backbone
    structure. Nano Letters. 11(4), 1518–1523.'
  mla: 'Frei, Michael, et al. “Mechanics and Chemistry: Single Molecule Bond Rupture
    Forces Correlate with Molecular Backbone Structure.” <i>Nano Letters</i>, vol.
    11, no. 4, American Chemical Society, 2011, pp. 1518–23, doi:<a href="https://doi.org/10.1021/nl1042903">10.1021/nl1042903</a>.'
  short: M. Frei, S.V. Aradhya, M. Koentopp, M.S. Hybertsen, L. Venkataraman, Nano
    Letters 11 (2011) 1518–1523.
date_created: 2024-09-09T12:37:10Z
date_published: 2011-03-02T00:00:00Z
date_updated: 2025-01-03T09:47:07Z
day: '02'
doi: 10.1021/nl1042903
extern: '1'
external_id:
  pmid:
  - '21366230'
fulldoi: https://doi.org/10.1021/nl1042903
intvolume: '        11'
issue: '4'
language:
- iso: eng
month: '03'
oa_version: None
page: 1518-1523
pmid: 1
publication: Nano Letters
publication_identifier:
  eissn:
  - 1530-6992
  issn:
  - 1530-6984
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Mechanics and chemistry: Single molecule bond rupture forces correlate with
  molecular backbone structure'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 11
year: '2011'
...